BaErCuS3 is an experimental ternary metal compound combining barium, erbium, and copper with sulfur, representing a rare-earth containing intermetallic or chalcogenide material not commonly found in standard engineering applications. This compound belongs to an emerging class of multi-element materials being investigated for potential electronic, magnetic, or thermal properties that may offer alternatives to conventional binary alloys. The material is primarily of research interest rather than established industrial use, with potential applications in advanced materials development where the unique combination of rare-earth and transition-metal elements could provide novel functionality.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 61.70 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2600 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 36.54 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.635 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 1.261 | eV | DFT · OptB88vdW | ||
| ↳ | 1.632 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 7.117 | - | DFT · OptB88vdW | ||
| ↳ | 6.179 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.7033 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 1.250 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00105 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00126 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -146.2 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 264.8 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 30.51 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.865 | eV/atom | DFT · OptB88vdW |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data